Binding information for 1xmu_ligand_1_3.mol2(FDBF00359)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xmu_ligand_1_3.mol2 | 1xmu | 1 | -5.49 | OC(F)F | 4 |
Structure and binding mode of 1xmu_ligand_1_3.mol2(FDBF00359)
Important binding residues for 1xmu_ligand_1_3.mol2(FDBF00359)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xmu | TRP406 | -0.48 | 0.05 | -0.43 | -0.10 | -0.53 |
| 1xmu | THR407 | -0.43 | -1.72 | -2.15 | 0.23 | -1.92 |
| 1xmu | GLN443 | -0.56 | -0.25 | -0.81 | 0.14 | -0.67 |
| 1xmu | PHE446 | -0.48 | 0.03 | -0.45 | 0.12 | -0.34 |
